SCHEMBL3792228

SCHEMBL3792228

O=C(O)c1ccc2oc(-c3c[nH]c(-c4c(F)cccc4Cl)n3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
FFAR1 O14842 1/20 0.38
PIM1 P11309 2/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
TTR P02766 5/20 0.37
APP P05067 1/20 0.37
EIF4E P06730 1/20 0.35
CSNK2A1 P68400 1/20 0.35
TBXAS1 P24557 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3790901 0.89 PTGES (0.39) PTGESMAPTTP53POLBFFAR1
SCHEMBL3795502 0.84 PTGES (0.43) PTGESFFAR1PIM1CSNK2A2CSNK2B
SCHEMBL3796734 0.84 PTGES (0.43) PTGESFFAR1PIM1CSNK2A2CSNK2B
SCHEMBL3797090 0.84 RHEB (0.41) PTGESMAPTTP53APP
SCHEMBL3800146 0.83 PIM1 (0.49) PTGESPIM1CSNK2A2CSNK2BPIM3
SCHEMBL3796208 0.81 PTGES (0.48) PTGES
SCHEMBL3794166 0.81 PTGES (0.47) PTGESMAPTTDP1TP53POLB
SCHEMBL3798547 0.81 PTGES (0.39) PTGESMAPTTP53PIM1CSNK2A2
SCHEMBL4783219 0.80 TTR (0.55) PTGESPIM1PIM3TTREIF4E
SCHEMBL3802320 0.79 PTGES (0.40) PTGESFFAR1PIM1CSNK2A2CSNK2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed